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	hartrees
Energy at 0K	-149.093956
Energy at 298.15K	-149.099218
Nuclear repulsion energy	71.964266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3715	3548	37.02
2	A	3575	3414	32.97
3	A	3414	3260	1.00
4	A	3039	2902	73.21
5	A	1746	1667	235.01
6	A	1658	1583	32.61
7	A	1403	1340	41.97
8	A	1343	1283	33.04
9	A	1109	1059	137.17
10	A	1086	1037	0.28
11	A	1075	1027	35.18
12	A	819	782	33.61
13	A	605	578	245.46
14	A	538	514	20.86
15	A	320	306	191.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.121	0.399	0.000
N2	1.129	-0.154	-0.000
N3	-1.175	-0.327	-0.000
H4	-0.084	1.494	-0.000
H5	1.964	0.409	0.000
H6	1.204	-1.162	0.000
H7	-2.039	0.229	0.000

	C1	N2	N3	H4	H5	H6	H7
C1		1.3667	1.2804	1.0956	2.0850	2.0473	1.9259
N2	1.3667		2.3109	2.0462	1.0069	1.0112	3.1911
N3	1.2804	2.3109		2.1231	3.2246	2.5212	1.0271
H4	1.0956	2.0462	2.1231		2.3179	2.9519	2.3289
H5	2.0850	1.0069	3.2246	2.3179		1.7455	4.0073
H6	2.0473	1.0112	2.5212	2.9519	1.7455		3.5283
H7	1.9259	3.1911	1.0271	2.3289	4.0073	3.5283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	122.169	C1	N2	H6	118.088
C1	N3	H7	112.692	N2	C1	N3	121.583
N2	C1	H4	111.941	N3	C1	H4	126.476
H5	N2	H6	119.743

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B1B95/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.282
2	N	-0.759
3	N	-0.611
4	H	0.184
5	H	0.319
6	H	0.330
7	H	0.255

	x	y	z	Total
	1.947	1.771	0.002	2.632
CHELPG
AIM
ESP

	x	y	z
x	5.084	0.196	0.000
y	0.196	3.201	0.000
z	0.000	0.000	1.023

<r²>	44.385
(<r²>)^1/2	6.662

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)